ChemSpider 2D Image | (3E,5E)-3,5-Dibenzylidene-1-[(1R)-1-phenylethyl]-4-piperidinone | C27H25NO

(3E,5E)-3,5-Dibenzylidene-1-[(1R)-1-phenylethyl]-4-piperidinone

  • Molecular FormulaC27H25NO
  • Average mass379.493 Da
  • Monoisotopic mass379.193604 Da
  • ChemSpider ID21180671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E,5E)-3,5-Dibenzyliden-1-[(1R)-1-phenylethyl]-4-piperidinon [German] [ACD/IUPAC Name]
(3E,5E)-3,5-Dibenzylidene-1-[(1R)-1-phenylethyl]-4-piperidinone [ACD/IUPAC Name]
(3E,5E)-3,5-Dibenzylidène-1-[(1R)-1-phényléthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 1-[(1R)-1-phenylethyl]-3,5-bis(phenylmethylene)-, (3E,5E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 561.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 218.1±19.5 °C
Index of Refraction: 1.673
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 20888.11
ACD/KOC (pH 5.5): 41968.49
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22780.36
ACD/KOC (pH 7.4): 45770.42
Polar Surface Area: 20 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 325.1±3.0 cm3

Click to predict properties on the Chemicalize site


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